2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one
TL;DR: 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one (CAS 5608-24-2) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one
Also Known As: PRIMA 1, PRIMA1, 2,2-bis(hydroxymethyl)quinuclidin-3-one, PRIMA 1;PRIMA1, 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 5608-24-2 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2(CO)CO |
| InChIKey | RFBVBRVVOPAAFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one (CAS 5608-24-2), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one
Property Insights of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one
The XLogP value of -0.6 indicates that 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one?
The CAS number of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one is 5608-24-2.
What is the molecular formula of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one?
The molecular formula of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one is C9H15NO3.
What is the molecular weight of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one?
The molecular weight of 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one is 185.11 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one?
You can request a quote for 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.